N-(2-phenylsulfanylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C16H14N4OS2 — CID 2343419

IUPACN-(2-phenylsulfanylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C16H14N4OS2/c21-15(10-22-16-17-11-18-20-16)19-13-8-4-5-9-14(13)23-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,19,21)(H,17,18,20)
InChIKeyRQHOLEBLFBVFNW-UHFFFAOYSA-N
MW342.45 g/mol
LogP3.69
Rot. Bonds6

About N-(2-phenylsulfanylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-(2-phenylsulfanylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 2343419) has the molecular formula C16H14N4OS2 and a molecular weight of 342.45 g/mol. Its IUPAC name is N-(2-phenylsulfanylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID2343419
Molecular FormulaC16H14N4OS2
Molecular Weight342.45 g/mol
Exact Mass342.06
IUPAC NameN-(2-phenylsulfanylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C16H14N4OS2/c21-15(10-22-16-17-11-18-20-16)19-13-8-4-5-9-14(13)23-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,19,21)(H,17,18,20)
InChIKeyRQHOLEBLFBVFNW-UHFFFAOYSA-N
XLogP3.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
CID 5102802
N-[4-(acetylamino)phenyl]-2-(4H-1,2,4-triazol-3-ylthio)acetamide
CID 2223265
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 2339452
N',N'-diphenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetohydrazide
CID 2342815
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2343526
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 4272280
N-[4-(aminosulfonyl)phenyl]-2-(4H-1,2,4-triazol-3-ylthio)acetamide
CID 2265973
1-Phenothiazin-10-yl-2-(4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
CID 736364
N-phenyl-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2660034
N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 684406
2-(4H-1,2,4-triazol-3-ylthio)-N-(2-phenylphenyl)acetamide
CID 2306282
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide
CID 2361353

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(2-phenylsulfanylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 2343419) is N-(2-phenylsulfanylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-phenylsulfanylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-phenylsulfanylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(CSc1ncn[nH]1)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of N-(2-phenylsulfanylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is RQHOLEBLFBVFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS2/c21-15(10-22-16-17-11-18-20-16)19-13-8-4-5-9-14(13)23-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,19,21)(H,17,18,20).
What are the key properties of N-(2-phenylsulfanylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(2-phenylsulfanylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 342.45 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 2343419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).